Vitas-M small molecule compound

3-[(3a'S,6a'R)-5'-butyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoic acid

Catalog ID
STK596758
SMILES CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H23N3O5 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5/c1-2-3-10-23-17(26)15-13(8-9-14(24)25)22-20(16(15)18(23)27)11-6-4-5-7-12(11)21-19(20)28/h4-7,13,15-16,22H,2-3,8-10H2,1H3,(H,21,28)(H,24,25)/t13?,15-,16+,20?/m1/s1
InChIKey
MGGLWVVKOAHFFS-KRSSAMQESA-N
Synonyms
1013755-18-4
1013755184
3((3aR6aS)5butyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)5butyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5butyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
CCCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2
CCCCN1C(=O)C2C(NC3(C2C1=O)C4=CC=CC=C4NC3=O)CCC(=O)O
InChI=1SC20H23N3O5c123102317(26)1513(8914(24)25)2220(16(15)18(23)27)11645712(11)2119(20)28h4713151622H23810H21H3(H2128)(H2425)t13?1516+20?m1s1
MFCD06784415
ZINC000005345329
ZINC000005345332

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Available files

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